SCHEMBL5081657

SCHEMBL5081657

CCCCCCCCCCCCOC(Oc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1)C(C)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.40
CNR2 P34972 2/20 0.36
PLA2G4B P0C869 1/20 0.35
PPARG P37231 2/20 0.35
PTPN11 Q06124 1/20 0.35
PPARA Q07869 1/20 0.35
ENPP2 Q13822 1/20 0.35
NR5A1 Q13285 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL38879 0.97 PLK1 (0.39) PLK1CNR2PLA2G4BPPARGPTPN11
SCHEMBL8104548 0.93 PLK1 (0.36) PLK1CNR2PLA2G4BPPARGPTPN11
SCHEMBL16163718 0.93 CNR2 (0.36) PLK1CNR2PLA2G4BPPARGPTPN11
SCHEMBL2382897 0.90 PLK1 (0.36) PLK1CNR2PLA2G4BPPARGPTPN11
SCHEMBL4562628 0.89 PLK1 (0.36) PLK1CNR2PLA2G4BPTPN11ENPP2
SCHEMBL7153091 0.88 CYP2C19 (0.40) CNR2PLA2G4BTSHR
SCHEMBL8716297 0.85 NPC1 (0.30)
SCHEMBL3700899 0.85 CNR2 (0.40) PLK1CNR2PLA2G4BPTPN11ENPP2
SCHEMBL937883 0.85 CNR2 (0.40) PLK1CNR2PLA2G4BPTPN11ENPP2
SCHEMBL3801060 0.85 LMNA (0.34) TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249214-A1 Stabilization of Methylmethacrylate-Butadiene-Styrene Graft Copolymers Against Thermal Oxidation WEGMANN ALEX 2008-10-09 US disclosed